USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 363 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 CYS SG : rot -90:sc= 0.869 USER MOD Set 1.2: A 9 CYS SG : rot 92:sc= 0.0731 USER MOD Set 1.3: A 39 CYS SG : rot -79:sc= 0.965 USER MOD Set 1.4: A 42 CYS SG : rot 105:sc= -1.6 USER MOD Single : A 2 LYS NZ :NH3+ -149:sc= 1.26 (180deg=1.13) USER MOD Single : A 3 LYS NZ :NH3+ 155:sc= 1.18 (180deg=1.04) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.341 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -4:sc= 1.1 USER MOD Single : A 14 ASN : amide:sc= -1.18 K(o=-1.2,f=-7.5!) USER MOD Single : A 22 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.059) USER MOD Single : A 25 ASN : amide:sc=-0.00734 X(o=-0.0073,f=0) USER MOD Single : A 28 THR OG1 : rot 95:sc= 1.29 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= 2.58 (180deg=2.55) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -1.724 0.474 11.560 1.00 0.00 N ATOM 21 CA LYS A 2 -0.873 -0.662 11.283 1.00 0.00 C ATOM 22 C LYS A 2 -0.402 -0.696 9.837 1.00 0.00 C ATOM 23 O LYS A 2 -1.133 -0.358 8.913 1.00 0.00 O ATOM 24 CB LYS A 2 -1.609 -1.964 11.533 1.00 0.00 C ATOM 25 CG LYS A 2 -2.000 -2.137 12.997 1.00 0.00 C ATOM 26 CD LYS A 2 -1.484 -3.517 13.399 1.00 0.00 C ATOM 27 CE LYS A 2 -2.175 -4.065 14.631 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.698 -3.362 15.838 1.00 0.00 N ATOM 0 HA LYS A 2 -0.017 -0.555 11.949 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.505 -1.997 10.914 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.979 -2.799 11.226 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.557 -1.357 13.616 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.080 -2.070 13.125 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.627 -4.209 12.569 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.412 -3.459 13.585 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.254 -3.946 14.535 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.979 -5.133 14.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.727 -4.010 16.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.721 -3.038 15.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.310 -2.542 16.027 1.00 0.00 H new ATOM 42 N LYS A 3 0.826 -1.162 9.668 1.00 0.00 N ATOM 43 CA LYS A 3 1.488 -1.344 8.400 1.00 0.00 C ATOM 44 C LYS A 3 0.947 -2.596 7.727 1.00 0.00 C ATOM 45 O LYS A 3 0.138 -3.305 8.319 1.00 0.00 O ATOM 46 CB LYS A 3 2.986 -1.371 8.688 1.00 0.00 C ATOM 47 CG LYS A 3 3.348 -0.015 9.317 1.00 0.00 C ATOM 48 CD LYS A 3 4.733 0.007 9.957 1.00 0.00 C ATOM 49 CE LYS A 3 5.902 0.127 8.976 1.00 0.00 C ATOM 50 NZ LYS A 3 7.181 0.131 9.711 1.00 0.00 N ATOM 0 H LYS A 3 1.412 -1.435 10.457 1.00 0.00 H new ATOM 0 HA LYS A 3 1.299 -0.536 7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.234 -2.188 9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.552 -1.534 7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.298 0.758 8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.603 0.237 10.072 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.779 0.842 10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.861 -0.905 10.540 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.882 -0.703 8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.805 1.043 8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.941 -0.208 9.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.397 1.098 10.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.108 -0.495 10.538 1.00 0.00 H new ATOM 64 N TYR A 4 1.361 -2.859 6.490 1.00 0.00 N ATOM 65 CA TYR A 4 0.877 -4.001 5.721 1.00 0.00 C ATOM 66 C TYR A 4 1.977 -4.520 4.802 1.00 0.00 C ATOM 67 O TYR A 4 2.748 -3.726 4.270 1.00 0.00 O ATOM 68 CB TYR A 4 -0.337 -3.616 4.869 1.00 0.00 C ATOM 69 CG TYR A 4 -1.659 -3.528 5.608 1.00 0.00 C ATOM 70 CD1 TYR A 4 -1.963 -2.450 6.460 1.00 0.00 C ATOM 71 CD2 TYR A 4 -2.599 -4.552 5.429 1.00 0.00 C ATOM 72 CE1 TYR A 4 -3.185 -2.416 7.150 1.00 0.00 C ATOM 73 CE2 TYR A 4 -3.795 -4.551 6.168 1.00 0.00 C ATOM 74 CZ TYR A 4 -4.101 -3.471 7.009 1.00 0.00 C ATOM 75 OH TYR A 4 -5.341 -3.385 7.567 1.00 0.00 O ATOM 0 H TYR A 4 2.042 -2.285 5.993 1.00 0.00 H new ATOM 0 HA TYR A 4 0.585 -4.777 6.428 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.138 -2.652 4.402 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.439 -4.345 4.065 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.253 -1.645 6.584 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.404 -5.344 4.721 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.421 -1.578 7.789 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.479 -5.383 6.088 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.845 -4.202 7.371 1.00 0.00 H new ATOM 85 N THR A 5 2.035 -5.832 4.574 1.00 0.00 N ATOM 86 CA THR A 5 2.935 -6.404 3.587 1.00 0.00 C ATOM 87 C THR A 5 2.376 -6.129 2.189 1.00 0.00 C ATOM 88 O THR A 5 1.161 -6.176 1.991 1.00 0.00 O ATOM 89 CB THR A 5 3.115 -7.902 3.872 1.00 0.00 C ATOM 90 OG1 THR A 5 3.539 -8.057 5.212 1.00 0.00 O ATOM 91 CG2 THR A 5 4.173 -8.545 2.971 1.00 0.00 C ATOM 0 H THR A 5 1.463 -6.518 5.066 1.00 0.00 H new ATOM 0 HA THR A 5 3.923 -5.946 3.642 1.00 0.00 H new ATOM 0 HB THR A 5 2.159 -8.390 3.682 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.657 -9.010 5.410 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.262 -9.604 3.213 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.878 -8.434 1.927 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.133 -8.055 3.131 1.00 0.00 H new ATOM 99 N CYS A 6 3.274 -5.831 1.245 1.00 0.00 N ATOM 100 CA CYS A 6 3.014 -5.853 -0.188 1.00 0.00 C ATOM 101 C CYS A 6 2.975 -7.339 -0.582 1.00 0.00 C ATOM 102 O CYS A 6 2.117 -8.081 -0.110 1.00 0.00 O ATOM 103 CB CYS A 6 4.092 -5.013 -0.855 1.00 0.00 C ATOM 104 SG CYS A 6 4.048 -4.989 -2.674 1.00 0.00 S ATOM 0 H CYS A 6 4.231 -5.560 1.470 1.00 0.00 H new ATOM 0 HA CYS A 6 2.068 -5.415 -0.505 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.007 -3.989 -0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.066 -5.383 -0.537 1.00 0.00 H new ATOM 0 HG CYS A 6 4.772 -5.964 -3.138 1.00 0.00 H new ATOM 109 N THR A 7 3.945 -7.816 -1.355 1.00 0.00 N ATOM 110 CA THR A 7 4.147 -9.222 -1.648 1.00 0.00 C ATOM 111 C THR A 7 5.593 -9.365 -2.121 1.00 0.00 C ATOM 112 O THR A 7 6.426 -8.508 -1.820 1.00 0.00 O ATOM 113 CB THR A 7 3.083 -9.728 -2.643 1.00 0.00 C ATOM 114 OG1 THR A 7 3.235 -11.121 -2.856 1.00 0.00 O ATOM 115 CG2 THR A 7 3.127 -9.010 -3.994 1.00 0.00 C ATOM 0 H THR A 7 4.631 -7.212 -1.807 1.00 0.00 H new ATOM 0 HA THR A 7 4.011 -9.858 -0.774 1.00 0.00 H new ATOM 0 HB THR A 7 2.116 -9.511 -2.189 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.553 -11.432 -3.488 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.353 -9.414 -4.646 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.956 -7.944 -3.845 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.104 -9.160 -4.454 1.00 0.00 H new ATOM 123 N VAL A 8 5.906 -10.432 -2.857 1.00 0.00 N ATOM 124 CA VAL A 8 7.251 -10.726 -3.340 1.00 0.00 C ATOM 125 C VAL A 8 7.643 -9.821 -4.518 1.00 0.00 C ATOM 126 O VAL A 8 8.029 -10.301 -5.583 1.00 0.00 O ATOM 127 CB VAL A 8 7.391 -12.232 -3.645 1.00 0.00 C ATOM 128 CG1 VAL A 8 7.344 -13.041 -2.343 1.00 0.00 C ATOM 129 CG2 VAL A 8 6.316 -12.765 -4.607 1.00 0.00 C ATOM 0 H VAL A 8 5.216 -11.129 -3.138 1.00 0.00 H new ATOM 0 HA VAL A 8 7.968 -10.495 -2.552 1.00 0.00 H new ATOM 0 HB VAL A 8 8.355 -12.352 -4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.444 -14.102 -2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.162 -12.731 -1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.393 -12.865 -1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.475 -13.830 -4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.329 -12.611 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.381 -12.233 -5.556 1.00 0.00 H new ATOM 139 N CYS A 9 7.589 -8.505 -4.303 1.00 0.00 N ATOM 140 CA CYS A 9 7.973 -7.487 -5.266 1.00 0.00 C ATOM 141 C CYS A 9 8.415 -6.223 -4.523 1.00 0.00 C ATOM 142 O CYS A 9 9.537 -5.756 -4.716 1.00 0.00 O ATOM 143 CB CYS A 9 6.852 -7.246 -6.256 1.00 0.00 C ATOM 144 SG CYS A 9 5.257 -6.861 -5.468 1.00 0.00 S ATOM 0 H CYS A 9 7.264 -8.111 -3.420 1.00 0.00 H new ATOM 0 HA CYS A 9 8.826 -7.825 -5.855 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.131 -6.424 -6.915 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.735 -8.130 -6.882 1.00 0.00 H new ATOM 0 HG CYS A 9 5.133 -5.573 -5.345 1.00 0.00 H new ATOM 149 N GLY A 10 7.545 -5.691 -3.662 1.00 0.00 N ATOM 150 CA GLY A 10 7.712 -4.383 -3.051 1.00 0.00 C ATOM 151 C GLY A 10 8.217 -4.450 -1.616 1.00 0.00 C ATOM 152 O GLY A 10 8.940 -5.367 -1.226 1.00 0.00 O ATOM 0 H GLY A 10 6.693 -6.169 -3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.411 -3.797 -3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.758 -3.856 -3.069 1.00 0.00 H new ATOM 156 N TYR A 11 7.824 -3.447 -0.827 1.00 0.00 N ATOM 157 CA TYR A 11 8.159 -3.285 0.576 1.00 0.00 C ATOM 158 C TYR A 11 6.860 -3.017 1.335 1.00 0.00 C ATOM 159 O TYR A 11 5.857 -2.635 0.736 1.00 0.00 O ATOM 160 CB TYR A 11 9.159 -2.124 0.726 1.00 0.00 C ATOM 161 CG TYR A 11 9.422 -1.691 2.158 1.00 0.00 C ATOM 162 CD1 TYR A 11 10.044 -2.579 3.056 1.00 0.00 C ATOM 163 CD2 TYR A 11 8.870 -0.488 2.641 1.00 0.00 C ATOM 164 CE1 TYR A 11 10.034 -2.308 4.436 1.00 0.00 C ATOM 165 CE2 TYR A 11 8.891 -0.204 4.018 1.00 0.00 C ATOM 166 CZ TYR A 11 9.441 -1.127 4.919 1.00 0.00 C ATOM 167 OH TYR A 11 9.334 -0.917 6.263 1.00 0.00 O ATOM 0 H TYR A 11 7.234 -2.691 -1.174 1.00 0.00 H new ATOM 0 HA TYR A 11 8.631 -4.179 0.983 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.105 -2.417 0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 11 8.786 -1.267 0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 11 10.529 -3.469 2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.430 0.218 1.952 1.00 0.00 H new ATOM 0 HE1 TYR A 11 10.482 -3.008 5.126 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.483 0.727 4.382 1.00 0.00 H new ATOM 0 HH TYR A 11 8.902 -0.053 6.426 1.00 0.00 H new ATOM 177 N ILE A 12 6.886 -3.236 2.651 1.00 0.00 N ATOM 178 CA ILE A 12 5.777 -2.975 3.553 1.00 0.00 C ATOM 179 C ILE A 12 5.181 -1.583 3.316 1.00 0.00 C ATOM 180 O ILE A 12 5.881 -0.576 3.384 1.00 0.00 O ATOM 181 CB ILE A 12 6.259 -3.193 5.003 1.00 0.00 C ATOM 182 CG1 ILE A 12 6.231 -4.708 5.279 1.00 0.00 C ATOM 183 CG2 ILE A 12 5.436 -2.411 6.041 1.00 0.00 C ATOM 184 CD1 ILE A 12 7.021 -5.124 6.522 1.00 0.00 C ATOM 0 H ILE A 12 7.707 -3.611 3.127 1.00 0.00 H new ATOM 0 HA ILE A 12 4.962 -3.672 3.358 1.00 0.00 H new ATOM 0 HB ILE A 12 7.272 -2.802 5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.195 -5.028 5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.632 -5.233 4.412 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.827 -2.609 7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.503 -1.344 5.830 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.394 -2.726 5.991 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.954 -6.204 6.651 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.066 -4.836 6.402 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.606 -4.628 7.400 1.00 0.00 H new ATOM 196 N TYR A 13 3.871 -1.533 3.075 1.00 0.00 N ATOM 197 CA TYR A 13 3.115 -0.298 3.034 1.00 0.00 C ATOM 198 C TYR A 13 3.026 0.253 4.455 1.00 0.00 C ATOM 199 O TYR A 13 2.743 -0.501 5.392 1.00 0.00 O ATOM 200 CB TYR A 13 1.717 -0.587 2.479 1.00 0.00 C ATOM 201 CG TYR A 13 0.773 0.600 2.523 1.00 0.00 C ATOM 202 CD1 TYR A 13 0.083 0.912 3.707 1.00 0.00 C ATOM 203 CD2 TYR A 13 0.602 1.413 1.390 1.00 0.00 C ATOM 204 CE1 TYR A 13 -0.727 2.055 3.768 1.00 0.00 C ATOM 205 CE2 TYR A 13 -0.054 2.653 1.517 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.708 2.987 2.717 1.00 0.00 C ATOM 207 OH TYR A 13 -1.473 4.118 2.786 1.00 0.00 O ATOM 0 H TYR A 13 3.305 -2.364 2.902 1.00 0.00 H new ATOM 0 HA TYR A 13 3.600 0.436 2.390 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.811 -0.924 1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.277 -1.408 3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.177 0.271 4.571 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.971 1.089 0.428 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.366 2.219 4.623 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.055 3.349 0.691 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.024 4.092 3.596 1.00 0.00 H new ATOM 217 N ASN A 14 3.225 1.566 4.604 1.00 0.00 N ATOM 218 CA ASN A 14 3.081 2.269 5.869 1.00 0.00 C ATOM 219 C ASN A 14 2.007 3.346 5.740 1.00 0.00 C ATOM 220 O ASN A 14 2.211 4.315 5.017 1.00 0.00 O ATOM 221 CB ASN A 14 4.422 2.881 6.280 1.00 0.00 C ATOM 222 CG ASN A 14 4.360 3.485 7.681 1.00 0.00 C ATOM 223 OD1 ASN A 14 3.320 3.491 8.333 1.00 0.00 O ATOM 224 ND2 ASN A 14 5.487 3.955 8.184 1.00 0.00 N ATOM 0 H ASN A 14 3.495 2.175 3.832 1.00 0.00 H new ATOM 0 HA ASN A 14 2.774 1.566 6.644 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.197 2.115 6.248 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.705 3.652 5.563 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.504 4.332 9.131 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.340 3.941 7.625 1.00 0.00 H new ATOM 231 N PRO A 15 0.865 3.221 6.428 1.00 0.00 N ATOM 232 CA PRO A 15 -0.222 4.168 6.278 1.00 0.00 C ATOM 233 C PRO A 15 0.176 5.540 6.757 1.00 0.00 C ATOM 234 O PRO A 15 -0.208 6.528 6.146 1.00 0.00 O ATOM 235 CB PRO A 15 -1.404 3.643 7.096 1.00 0.00 C ATOM 236 CG PRO A 15 -0.771 2.628 8.033 1.00 0.00 C ATOM 237 CD PRO A 15 0.575 2.234 7.448 1.00 0.00 C ATOM 0 HA PRO A 15 -0.488 4.263 5.225 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.897 4.444 7.647 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.159 3.183 6.459 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.645 3.053 9.029 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.413 1.753 8.139 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.348 2.226 8.216 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.538 1.231 7.023 1.00 0.00 H new ATOM 245 N GLU A 16 0.943 5.607 7.838 1.00 0.00 N ATOM 246 CA GLU A 16 1.330 6.863 8.436 1.00 0.00 C ATOM 247 C GLU A 16 2.182 7.696 7.478 1.00 0.00 C ATOM 248 O GLU A 16 2.121 8.923 7.494 1.00 0.00 O ATOM 249 CB GLU A 16 2.011 6.550 9.763 1.00 0.00 C ATOM 250 CG GLU A 16 1.011 5.752 10.628 1.00 0.00 C ATOM 251 CD GLU A 16 1.310 5.721 12.118 1.00 0.00 C ATOM 252 OE1 GLU A 16 2.305 6.342 12.541 1.00 0.00 O ATOM 253 OE2 GLU A 16 0.480 5.074 12.799 1.00 0.00 O ATOM 0 H GLU A 16 1.311 4.787 8.320 1.00 0.00 H new ATOM 0 HA GLU A 16 0.461 7.489 8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.921 5.972 9.599 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.305 7.470 10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.016 6.174 10.484 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.978 4.726 10.261 1.00 0.00 H new ATOM 260 N ASP A 17 2.911 7.007 6.599 1.00 0.00 N ATOM 261 CA ASP A 17 3.658 7.620 5.507 1.00 0.00 C ATOM 262 C ASP A 17 2.744 7.794 4.289 1.00 0.00 C ATOM 263 O ASP A 17 2.891 8.740 3.515 1.00 0.00 O ATOM 264 CB ASP A 17 4.852 6.735 5.128 1.00 0.00 C ATOM 265 CG ASP A 17 5.942 6.629 6.186 1.00 0.00 C ATOM 266 OD1 ASP A 17 6.232 7.658 6.830 1.00 0.00 O ATOM 267 OD2 ASP A 17 6.483 5.507 6.331 1.00 0.00 O ATOM 0 H ASP A 17 2.998 5.991 6.629 1.00 0.00 H new ATOM 0 HA ASP A 17 4.022 8.595 5.830 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.485 5.733 4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.295 7.123 4.211 1.00 0.00 H new ATOM 272 N GLY A 18 1.799 6.869 4.108 1.00 0.00 N ATOM 273 CA GLY A 18 1.041 6.719 2.889 1.00 0.00 C ATOM 274 C GLY A 18 1.959 6.318 1.738 1.00 0.00 C ATOM 275 O GLY A 18 3.062 5.821 1.951 1.00 0.00 O ATOM 0 H GLY A 18 1.543 6.194 4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.267 5.964 3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.535 7.655 2.650 1.00 0.00 H new ATOM 279 N ASP A 19 1.491 6.571 0.519 1.00 0.00 N ATOM 280 CA ASP A 19 2.246 6.432 -0.714 1.00 0.00 C ATOM 281 C ASP A 19 1.879 7.610 -1.627 1.00 0.00 C ATOM 282 O ASP A 19 1.320 7.424 -2.715 1.00 0.00 O ATOM 283 CB ASP A 19 1.950 5.050 -1.329 1.00 0.00 C ATOM 284 CG ASP A 19 3.071 4.072 -1.034 1.00 0.00 C ATOM 285 OD1 ASP A 19 4.193 4.369 -1.499 1.00 0.00 O ATOM 286 OD2 ASP A 19 2.775 3.029 -0.411 1.00 0.00 O ATOM 0 H ASP A 19 0.536 6.891 0.361 1.00 0.00 H new ATOM 0 HA ASP A 19 3.323 6.470 -0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.012 4.664 -0.930 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.822 5.148 -2.407 1.00 0.00 H new ATOM 291 N PRO A 20 2.153 8.852 -1.195 1.00 0.00 N ATOM 292 CA PRO A 20 1.666 10.042 -1.875 1.00 0.00 C ATOM 293 C PRO A 20 2.255 10.157 -3.275 1.00 0.00 C ATOM 294 O PRO A 20 1.605 10.702 -4.163 1.00 0.00 O ATOM 295 CB PRO A 20 2.060 11.229 -0.994 1.00 0.00 C ATOM 296 CG PRO A 20 3.224 10.698 -0.160 1.00 0.00 C ATOM 297 CD PRO A 20 2.887 9.217 0.007 1.00 0.00 C ATOM 0 HA PRO A 20 0.585 10.005 -2.012 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.358 12.090 -1.593 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.231 11.551 -0.364 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.179 10.839 -0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.295 11.206 0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.791 8.617 0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.286 9.049 0.901 1.00 0.00 H new ATOM 305 N ASP A 21 3.456 9.611 -3.489 1.00 0.00 N ATOM 306 CA ASP A 21 4.128 9.648 -4.772 1.00 0.00 C ATOM 307 C ASP A 21 3.317 8.860 -5.801 1.00 0.00 C ATOM 308 O ASP A 21 3.330 9.168 -6.991 1.00 0.00 O ATOM 309 CB ASP A 21 5.523 9.049 -4.582 1.00 0.00 C ATOM 310 CG ASP A 21 6.381 9.935 -3.694 1.00 0.00 C ATOM 311 OD1 ASP A 21 7.003 10.868 -4.244 1.00 0.00 O ATOM 312 OD2 ASP A 21 6.366 9.676 -2.471 1.00 0.00 O ATOM 0 H ASP A 21 3.986 9.129 -2.763 1.00 0.00 H new ATOM 0 HA ASP A 21 4.218 10.670 -5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.439 8.057 -4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.005 8.925 -5.552 1.00 0.00 H new ATOM 317 N ASN A 22 2.605 7.838 -5.320 1.00 0.00 N ATOM 318 CA ASN A 22 1.768 6.956 -6.115 1.00 0.00 C ATOM 319 C ASN A 22 0.332 7.458 -6.145 1.00 0.00 C ATOM 320 O ASN A 22 -0.377 7.257 -7.127 1.00 0.00 O ATOM 321 CB ASN A 22 1.840 5.543 -5.538 1.00 0.00 C ATOM 322 CG ASN A 22 3.273 5.037 -5.447 1.00 0.00 C ATOM 323 OD1 ASN A 22 3.797 4.493 -6.411 1.00 0.00 O ATOM 324 ND2 ASN A 22 3.906 5.204 -4.289 1.00 0.00 N ATOM 0 H ASN A 22 2.600 7.599 -4.328 1.00 0.00 H new ATOM 0 HA ASN A 22 2.132 6.942 -7.142 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.388 5.533 -4.546 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.255 4.866 -6.161 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.865 4.873 -4.180 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.433 5.663 -3.511 1.00 0.00 H new ATOM 331 N GLY A 23 -0.088 8.115 -5.063 1.00 0.00 N ATOM 332 CA GLY A 23 -1.349 8.837 -4.981 1.00 0.00 C ATOM 333 C GLY A 23 -2.092 8.640 -3.657 1.00 0.00 C ATOM 334 O GLY A 23 -3.219 9.108 -3.512 1.00 0.00 O ATOM 0 H GLY A 23 0.456 8.158 -4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.157 9.900 -5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.994 8.516 -5.799 1.00 0.00 H new ATOM 338 N VAL A 24 -1.488 7.953 -2.685 1.00 0.00 N ATOM 339 CA VAL A 24 -2.115 7.616 -1.415 1.00 0.00 C ATOM 340 C VAL A 24 -1.568 8.548 -0.342 1.00 0.00 C ATOM 341 O VAL A 24 -0.397 8.488 0.009 1.00 0.00 O ATOM 342 CB VAL A 24 -1.826 6.142 -1.123 1.00 0.00 C ATOM 343 CG1 VAL A 24 -2.188 5.733 0.300 1.00 0.00 C ATOM 344 CG2 VAL A 24 -2.617 5.260 -2.092 1.00 0.00 C ATOM 0 H VAL A 24 -0.530 7.611 -2.765 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.197 7.748 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.752 6.007 -1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.960 4.677 0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.612 6.329 1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.252 5.900 0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.409 4.211 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.683 5.450 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.323 5.490 -3.116 1.00 0.00 H new ATOM 354 N ASN A 25 -2.411 9.432 0.181 1.00 0.00 N ATOM 355 CA ASN A 25 -1.999 10.412 1.175 1.00 0.00 C ATOM 356 C ASN A 25 -1.564 9.712 2.468 1.00 0.00 C ATOM 357 O ASN A 25 -2.025 8.602 2.742 1.00 0.00 O ATOM 358 CB ASN A 25 -3.162 11.377 1.443 1.00 0.00 C ATOM 359 CG ASN A 25 -3.235 12.489 0.400 1.00 0.00 C ATOM 360 OD1 ASN A 25 -3.008 13.652 0.712 1.00 0.00 O ATOM 361 ND2 ASN A 25 -3.542 12.152 -0.850 1.00 0.00 N ATOM 0 H ASN A 25 -3.397 9.488 -0.073 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.146 10.976 0.798 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.100 10.822 1.447 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.047 11.816 2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.593 12.869 -1.574 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.727 11.177 -1.085 1.00 0.00 H new ATOM 368 N PRO A 26 -0.703 10.336 3.286 1.00 0.00 N ATOM 369 CA PRO A 26 -0.406 9.821 4.609 1.00 0.00 C ATOM 370 C PRO A 26 -1.676 9.723 5.452 1.00 0.00 C ATOM 371 O PRO A 26 -2.629 10.478 5.274 1.00 0.00 O ATOM 372 CB PRO A 26 0.634 10.754 5.226 1.00 0.00 C ATOM 373 CG PRO A 26 0.550 12.031 4.392 1.00 0.00 C ATOM 374 CD PRO A 26 0.006 11.579 3.035 1.00 0.00 C ATOM 0 HA PRO A 26 -0.007 8.808 4.560 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.416 10.951 6.276 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.632 10.318 5.184 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.109 12.764 4.857 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.528 12.501 4.289 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.660 12.330 2.611 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.815 11.430 2.320 1.00 0.00 H new ATOM 382 N GLY A 27 -1.669 8.754 6.362 1.00 0.00 N ATOM 383 CA GLY A 27 -2.771 8.404 7.231 1.00 0.00 C ATOM 384 C GLY A 27 -3.837 7.556 6.544 1.00 0.00 C ATOM 385 O GLY A 27 -4.916 7.408 7.114 1.00 0.00 O ATOM 0 H GLY A 27 -0.850 8.166 6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.386 7.861 8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.231 9.317 7.608 1.00 0.00 H new ATOM 389 N THR A 28 -3.575 6.968 5.368 1.00 0.00 N ATOM 390 CA THR A 28 -4.587 6.191 4.685 1.00 0.00 C ATOM 391 C THR A 28 -4.412 4.732 5.065 1.00 0.00 C ATOM 392 O THR A 28 -3.407 4.115 4.715 1.00 0.00 O ATOM 393 CB THR A 28 -4.444 6.402 3.175 1.00 0.00 C ATOM 394 OG1 THR A 28 -4.604 7.763 2.839 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.517 5.621 2.437 1.00 0.00 C ATOM 0 H THR A 28 -2.678 7.022 4.885 1.00 0.00 H new ATOM 0 HA THR A 28 -5.589 6.507 4.976 1.00 0.00 H new ATOM 0 HB THR A 28 -3.449 6.061 2.890 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.725 8.193 2.789 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.407 5.777 1.364 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.414 4.559 2.662 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.501 5.965 2.755 1.00 0.00 H new ATOM 403 N ASP A 29 -5.406 4.183 5.761 1.00 0.00 N ATOM 404 CA ASP A 29 -5.516 2.760 6.018 1.00 0.00 C ATOM 405 C ASP A 29 -5.512 2.032 4.687 1.00 0.00 C ATOM 406 O ASP A 29 -6.219 2.424 3.762 1.00 0.00 O ATOM 407 CB ASP A 29 -6.830 2.485 6.745 1.00 0.00 C ATOM 408 CG ASP A 29 -6.996 1.059 7.258 1.00 0.00 C ATOM 409 OD1 ASP A 29 -6.569 0.134 6.533 1.00 0.00 O ATOM 410 OD2 ASP A 29 -7.649 0.908 8.315 1.00 0.00 O ATOM 0 H ASP A 29 -6.167 4.729 6.166 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.684 2.418 6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.911 3.170 7.589 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.656 2.711 6.070 1.00 0.00 H new ATOM 415 N PHE A 30 -4.743 0.953 4.612 1.00 0.00 N ATOM 416 CA PHE A 30 -4.755 0.035 3.491 1.00 0.00 C ATOM 417 C PHE A 30 -6.166 -0.287 2.991 1.00 0.00 C ATOM 418 O PHE A 30 -6.378 -0.468 1.787 1.00 0.00 O ATOM 419 CB PHE A 30 -4.035 -1.246 3.900 1.00 0.00 C ATOM 420 CG PHE A 30 -3.320 -1.891 2.742 1.00 0.00 C ATOM 421 CD1 PHE A 30 -4.045 -2.516 1.713 1.00 0.00 C ATOM 422 CD2 PHE A 30 -1.938 -1.695 2.606 1.00 0.00 C ATOM 423 CE1 PHE A 30 -3.374 -2.967 0.569 1.00 0.00 C ATOM 424 CE2 PHE A 30 -1.258 -2.220 1.503 1.00 0.00 C ATOM 425 CZ PHE A 30 -1.982 -2.855 0.491 1.00 0.00 C ATOM 0 H PHE A 30 -4.083 0.691 5.344 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.242 0.519 2.660 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.317 -1.021 4.689 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.756 -1.949 4.317 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.113 -2.648 1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.397 -1.137 3.356 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.930 -3.400 -0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.184 -2.135 1.434 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.461 -3.264 -0.362 1.00 0.00 H new ATOM 435 N LYS A 31 -7.154 -0.372 3.886 1.00 0.00 N ATOM 436 CA LYS A 31 -8.490 -0.692 3.419 1.00 0.00 C ATOM 437 C LYS A 31 -9.049 0.469 2.591 1.00 0.00 C ATOM 438 O LYS A 31 -9.703 0.250 1.575 1.00 0.00 O ATOM 439 CB LYS A 31 -9.378 -1.102 4.586 1.00 0.00 C ATOM 440 CG LYS A 31 -9.732 0.134 5.393 1.00 0.00 C ATOM 441 CD LYS A 31 -10.350 -0.256 6.720 1.00 0.00 C ATOM 442 CE LYS A 31 -10.768 1.039 7.427 1.00 0.00 C ATOM 443 NZ LYS A 31 -11.275 0.774 8.781 1.00 0.00 N ATOM 0 H LYS A 31 -7.056 -0.230 4.891 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.457 -1.554 2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.284 -1.585 4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.863 -1.828 5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.837 0.732 5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.428 0.756 4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.212 -0.905 6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.636 -0.812 7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.915 1.716 7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.537 1.543 6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.549 1.671 9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.103 0.148 8.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.532 0.316 9.346 1.00 0.00 H new ATOM 457 N ASP A 32 -8.756 1.696 3.030 1.00 0.00 N ATOM 458 CA ASP A 32 -9.286 2.927 2.475 1.00 0.00 C ATOM 459 C ASP A 32 -8.552 3.275 1.180 1.00 0.00 C ATOM 460 O ASP A 32 -9.044 4.092 0.402 1.00 0.00 O ATOM 461 CB ASP A 32 -9.159 4.074 3.496 1.00 0.00 C ATOM 462 CG ASP A 32 -9.926 3.863 4.801 1.00 0.00 C ATOM 463 OD1 ASP A 32 -10.934 3.123 4.787 1.00 0.00 O ATOM 464 OD2 ASP A 32 -9.483 4.448 5.812 1.00 0.00 O ATOM 0 H ASP A 32 -8.119 1.856 3.810 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.343 2.786 2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.104 4.217 3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.509 4.995 3.031 1.00 0.00 H new ATOM 469 N ILE A 33 -7.380 2.679 0.924 1.00 0.00 N ATOM 470 CA ILE A 33 -6.673 2.860 -0.320 1.00 0.00 C ATOM 471 C ILE A 33 -7.615 2.495 -1.472 1.00 0.00 C ATOM 472 O ILE A 33 -8.213 1.417 -1.426 1.00 0.00 O ATOM 473 CB ILE A 33 -5.456 1.947 -0.314 1.00 0.00 C ATOM 474 CG1 ILE A 33 -4.487 2.372 0.781 1.00 0.00 C ATOM 475 CG2 ILE A 33 -4.714 1.911 -1.630 1.00 0.00 C ATOM 476 CD1 ILE A 33 -3.147 1.642 0.709 1.00 0.00 C ATOM 0 H ILE A 33 -6.907 2.060 1.583 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.346 3.893 -0.443 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.840 0.943 -0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.314 3.446 0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.943 2.188 1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.860 1.239 -1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.382 1.555 -2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.365 2.913 -1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.500 1.988 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.311 0.569 0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.672 1.847 -0.250 1.00 0.00 H new ATOM 488 N PRO A 34 -7.714 3.339 -2.506 1.00 0.00 N ATOM 489 CA PRO A 34 -8.528 3.069 -3.675 1.00 0.00 C ATOM 490 C PRO A 34 -8.079 1.757 -4.312 1.00 0.00 C ATOM 491 O PRO A 34 -6.883 1.537 -4.480 1.00 0.00 O ATOM 492 CB PRO A 34 -8.288 4.230 -4.642 1.00 0.00 C ATOM 493 CG PRO A 34 -7.405 5.240 -3.908 1.00 0.00 C ATOM 494 CD PRO A 34 -6.854 4.486 -2.699 1.00 0.00 C ATOM 0 HA PRO A 34 -9.584 2.980 -3.421 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.801 3.881 -5.553 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.232 4.686 -4.940 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.600 5.598 -4.549 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.979 6.114 -3.599 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.824 4.174 -2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.850 5.122 -1.814 1.00 0.00 H new ATOM 502 N ASP A 35 -9.003 0.877 -4.688 1.00 0.00 N ATOM 503 CA ASP A 35 -8.636 -0.416 -5.229 1.00 0.00 C ATOM 504 C ASP A 35 -8.115 -0.309 -6.671 1.00 0.00 C ATOM 505 O ASP A 35 -7.568 -1.277 -7.196 1.00 0.00 O ATOM 506 CB ASP A 35 -9.799 -1.392 -5.005 1.00 0.00 C ATOM 507 CG ASP A 35 -9.548 -2.335 -3.824 1.00 0.00 C ATOM 508 OD1 ASP A 35 -9.160 -1.839 -2.736 1.00 0.00 O ATOM 509 OD2 ASP A 35 -9.735 -3.552 -4.021 1.00 0.00 O ATOM 0 H ASP A 35 -10.008 1.041 -4.626 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.781 -0.831 -4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.715 -0.828 -4.828 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.956 -1.980 -5.909 1.00 0.00 H new ATOM 514 N ASP A 36 -8.203 0.877 -7.286 1.00 0.00 N ATOM 515 CA ASP A 36 -7.497 1.225 -8.512 1.00 0.00 C ATOM 516 C ASP A 36 -6.016 1.551 -8.268 1.00 0.00 C ATOM 517 O ASP A 36 -5.254 1.665 -9.228 1.00 0.00 O ATOM 518 CB ASP A 36 -8.207 2.412 -9.175 1.00 0.00 C ATOM 519 CG ASP A 36 -8.280 3.601 -8.235 1.00 0.00 C ATOM 520 OD1 ASP A 36 -9.244 3.600 -7.438 1.00 0.00 O ATOM 521 OD2 ASP A 36 -7.359 4.442 -8.282 1.00 0.00 O ATOM 0 H ASP A 36 -8.784 1.636 -6.930 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.516 0.357 -9.172 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.676 2.695 -10.084 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.213 2.118 -9.472 1.00 0.00 H new ATOM 526 N TRP A 37 -5.584 1.692 -7.009 1.00 0.00 N ATOM 527 CA TRP A 37 -4.188 1.951 -6.697 1.00 0.00 C ATOM 528 C TRP A 37 -3.323 0.741 -7.062 1.00 0.00 C ATOM 529 O TRP A 37 -3.797 -0.394 -7.117 1.00 0.00 O ATOM 530 CB TRP A 37 -4.056 2.299 -5.214 1.00 0.00 C ATOM 531 CG TRP A 37 -2.675 2.463 -4.663 1.00 0.00 C ATOM 532 CD1 TRP A 37 -1.879 3.549 -4.763 1.00 0.00 C ATOM 533 CD2 TRP A 37 -1.917 1.483 -3.900 1.00 0.00 C ATOM 534 NE1 TRP A 37 -0.724 3.339 -4.034 1.00 0.00 N ATOM 535 CE2 TRP A 37 -0.698 2.079 -3.469 1.00 0.00 C ATOM 536 CE3 TRP A 37 -2.146 0.141 -3.544 1.00 0.00 C ATOM 537 CZ2 TRP A 37 0.232 1.389 -2.677 1.00 0.00 C ATOM 538 CZ3 TRP A 37 -1.218 -0.566 -2.755 1.00 0.00 C ATOM 539 CH2 TRP A 37 -0.042 0.062 -2.306 1.00 0.00 C ATOM 0 H TRP A 37 -6.191 1.629 -6.191 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.835 2.797 -7.287 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.601 3.226 -5.036 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.557 1.520 -4.640 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.109 4.442 -5.325 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.019 4.030 -3.926 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.045 -0.353 -3.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.144 1.870 -2.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.410 -1.596 -2.493 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.651 -0.476 -1.676 1.00 0.00 H new ATOM 550 N VAL A 38 -2.039 1.011 -7.289 1.00 0.00 N ATOM 551 CA VAL A 38 -1.026 0.052 -7.705 1.00 0.00 C ATOM 552 C VAL A 38 0.124 0.086 -6.692 1.00 0.00 C ATOM 553 O VAL A 38 0.305 1.105 -6.026 1.00 0.00 O ATOM 554 CB VAL A 38 -0.585 0.412 -9.139 1.00 0.00 C ATOM 555 CG1 VAL A 38 0.108 1.780 -9.222 1.00 0.00 C ATOM 556 CG2 VAL A 38 0.323 -0.653 -9.762 1.00 0.00 C ATOM 0 H VAL A 38 -1.661 1.952 -7.181 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.406 -0.969 -7.724 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.511 0.458 -9.712 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.396 1.980 -10.254 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.577 2.556 -8.880 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.997 1.776 -8.591 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.603 -0.348 -10.770 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.221 -0.766 -9.155 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.208 -1.604 -9.805 1.00 0.00 H new ATOM 566 N CYS A 39 0.870 -1.016 -6.574 1.00 0.00 N ATOM 567 CA CYS A 39 2.095 -1.161 -5.792 1.00 0.00 C ATOM 568 C CYS A 39 2.964 0.111 -5.760 1.00 0.00 C ATOM 569 O CYS A 39 3.031 0.841 -6.747 1.00 0.00 O ATOM 570 CB CYS A 39 2.917 -2.264 -6.403 1.00 0.00 C ATOM 571 SG CYS A 39 2.545 -3.910 -5.743 1.00 0.00 S ATOM 0 H CYS A 39 0.617 -1.881 -7.052 1.00 0.00 H new ATOM 0 HA CYS A 39 1.793 -1.375 -4.767 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.754 -2.270 -7.481 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.973 -2.049 -6.241 1.00 0.00 H new ATOM 0 HG CYS A 39 3.128 -4.057 -4.590 1.00 0.00 H new ATOM 576 N PRO A 40 3.696 0.348 -4.659 1.00 0.00 N ATOM 577 CA PRO A 40 4.469 1.564 -4.470 1.00 0.00 C ATOM 578 C PRO A 40 5.770 1.579 -5.277 1.00 0.00 C ATOM 579 O PRO A 40 6.181 2.633 -5.754 1.00 0.00 O ATOM 580 CB PRO A 40 4.741 1.619 -2.970 1.00 0.00 C ATOM 581 CG PRO A 40 4.820 0.152 -2.565 1.00 0.00 C ATOM 582 CD PRO A 40 3.763 -0.490 -3.468 1.00 0.00 C ATOM 0 HA PRO A 40 3.922 2.436 -4.829 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.669 2.146 -2.750 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.945 2.140 -2.437 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.812 -0.265 -2.739 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.594 0.009 -1.508 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.037 -1.513 -3.725 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.796 -0.535 -2.967 1.00 0.00 H new ATOM 590 N LEU A 41 6.451 0.432 -5.394 1.00 0.00 N ATOM 591 CA LEU A 41 7.702 0.298 -6.141 1.00 0.00 C ATOM 592 C LEU A 41 7.622 -0.932 -7.054 1.00 0.00 C ATOM 593 O LEU A 41 8.639 -1.557 -7.354 1.00 0.00 O ATOM 594 CB LEU A 41 8.900 0.217 -5.170 1.00 0.00 C ATOM 595 CG LEU A 41 9.143 1.483 -4.322 1.00 0.00 C ATOM 596 CD1 LEU A 41 10.274 1.229 -3.313 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.551 2.693 -5.177 1.00 0.00 C ATOM 0 H LEU A 41 6.141 -0.440 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 41 7.853 1.177 -6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.746 -0.627 -4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.801 0.006 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 41 8.201 1.704 -3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.440 2.127 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.997 0.405 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.189 0.975 -3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.710 3.557 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.473 2.466 -5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.760 2.915 -5.893 1.00 0.00 H new ATOM 609 N CYS A 42 6.412 -1.259 -7.518 1.00 0.00 N ATOM 610 CA CYS A 42 6.115 -2.418 -8.344 1.00 0.00 C ATOM 611 C CYS A 42 4.888 -2.065 -9.195 1.00 0.00 C ATOM 612 O CYS A 42 4.454 -0.916 -9.175 1.00 0.00 O ATOM 613 CB CYS A 42 5.951 -3.681 -7.510 1.00 0.00 C ATOM 614 SG CYS A 42 6.079 -3.455 -5.704 1.00 0.00 S ATOM 0 H CYS A 42 5.585 -0.697 -7.317 1.00 0.00 H new ATOM 0 HA CYS A 42 6.947 -2.652 -9.008 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.979 -4.120 -7.735 1.00 0.00 H new ATOM 0 HB3 CYS A 42 6.707 -4.402 -7.822 1.00 0.00 H new ATOM 0 HG CYS A 42 4.894 -3.521 -5.173 1.00 0.00 H new ATOM 619 N GLY A 43 4.339 -3.020 -9.956 1.00 0.00 N ATOM 620 CA GLY A 43 3.222 -2.784 -10.865 1.00 0.00 C ATOM 621 C GLY A 43 2.159 -3.870 -10.734 1.00 0.00 C ATOM 622 O GLY A 43 1.848 -4.546 -11.713 1.00 0.00 O ATOM 0 H GLY A 43 4.665 -3.987 -9.954 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.778 -1.811 -10.654 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.587 -2.752 -11.892 1.00 0.00 H new ATOM 626 N VAL A 44 1.611 -4.047 -9.529 1.00 0.00 N ATOM 627 CA VAL A 44 0.581 -5.030 -9.207 1.00 0.00 C ATOM 628 C VAL A 44 -0.502 -4.326 -8.378 1.00 0.00 C ATOM 629 O VAL A 44 -0.261 -3.245 -7.838 1.00 0.00 O ATOM 630 CB VAL A 44 1.241 -6.230 -8.493 1.00 0.00 C ATOM 631 CG1 VAL A 44 0.238 -7.208 -7.870 1.00 0.00 C ATOM 632 CG2 VAL A 44 2.119 -7.011 -9.480 1.00 0.00 C ATOM 0 H VAL A 44 1.885 -3.487 -8.722 1.00 0.00 H new ATOM 0 HA VAL A 44 0.095 -5.434 -10.095 1.00 0.00 H new ATOM 0 HB VAL A 44 1.831 -5.801 -7.683 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.777 -8.023 -7.387 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.368 -6.685 -7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.409 -7.612 -8.649 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.580 -7.855 -8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.505 -7.377 -10.302 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.897 -6.356 -9.872 1.00 0.00 H new ATOM 642 N GLY A 45 -1.715 -4.888 -8.343 1.00 0.00 N ATOM 643 CA GLY A 45 -2.834 -4.333 -7.594 1.00 0.00 C ATOM 644 C GLY A 45 -2.683 -4.588 -6.094 1.00 0.00 C ATOM 645 O GLY A 45 -1.668 -5.103 -5.635 1.00 0.00 O ATOM 0 H GLY A 45 -1.944 -5.749 -8.840 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.900 -3.261 -7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.765 -4.775 -7.948 1.00 0.00 H new ATOM 649 N LYS A 46 -3.705 -4.224 -5.316 1.00 0.00 N ATOM 650 CA LYS A 46 -3.718 -4.494 -3.885 1.00 0.00 C ATOM 651 C LYS A 46 -3.906 -5.991 -3.637 1.00 0.00 C ATOM 652 O LYS A 46 -3.070 -6.628 -3.004 1.00 0.00 O ATOM 653 CB LYS A 46 -4.863 -3.727 -3.223 1.00 0.00 C ATOM 654 CG LYS A 46 -4.688 -2.214 -3.262 1.00 0.00 C ATOM 655 CD LYS A 46 -5.963 -1.539 -2.754 1.00 0.00 C ATOM 656 CE LYS A 46 -6.142 -1.615 -1.236 1.00 0.00 C ATOM 657 NZ LYS A 46 -7.488 -1.125 -0.847 1.00 0.00 N ATOM 0 H LYS A 46 -4.535 -3.740 -5.659 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.768 -4.172 -3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.798 -3.989 -3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.951 -4.047 -2.185 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.838 -1.920 -2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.472 -1.888 -4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.954 -0.492 -3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.824 -2.002 -3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.011 -2.643 -0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.375 -1.018 -0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.652 -1.323 0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.545 -0.100 -1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.211 -1.608 -1.417 1.00 0.00 H new ATOM 671 N ASP A 47 -5.039 -6.512 -4.112 1.00 0.00 N ATOM 672 CA ASP A 47 -5.494 -7.899 -4.106 1.00 0.00 C ATOM 673 C ASP A 47 -5.510 -8.550 -2.716 1.00 0.00 C ATOM 674 O ASP A 47 -6.582 -8.856 -2.195 1.00 0.00 O ATOM 675 CB ASP A 47 -4.762 -8.742 -5.164 1.00 0.00 C ATOM 676 CG ASP A 47 -4.609 -8.052 -6.522 1.00 0.00 C ATOM 677 OD1 ASP A 47 -5.376 -7.099 -6.788 1.00 0.00 O ATOM 678 OD2 ASP A 47 -3.715 -8.490 -7.278 1.00 0.00 O ATOM 0 H ASP A 47 -5.730 -5.908 -4.556 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.545 -7.869 -4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.772 -8.999 -4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.303 -9.678 -5.304 1.00 0.00 H new ATOM 683 N GLN A 48 -4.341 -8.790 -2.118 1.00 0.00 N ATOM 684 CA GLN A 48 -4.178 -9.380 -0.795 1.00 0.00 C ATOM 685 C GLN A 48 -3.067 -8.624 -0.069 1.00 0.00 C ATOM 686 O GLN A 48 -2.080 -8.238 -0.688 1.00 0.00 O ATOM 687 CB GLN A 48 -3.826 -10.867 -0.907 1.00 0.00 C ATOM 688 CG GLN A 48 -4.896 -11.656 -1.670 1.00 0.00 C ATOM 689 CD GLN A 48 -4.635 -13.156 -1.595 1.00 0.00 C ATOM 690 OE1 GLN A 48 -4.116 -13.755 -2.530 1.00 0.00 O ATOM 691 NE2 GLN A 48 -4.995 -13.781 -0.478 1.00 0.00 N ATOM 0 H GLN A 48 -3.450 -8.569 -2.562 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.111 -9.302 -0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.867 -10.975 -1.413 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.709 -11.288 0.092 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.879 -11.434 -1.255 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.911 -11.339 -2.713 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.425 -13.257 0.284 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.841 -14.785 -0.383 1.00 0.00 H new ATOM 700 N PHE A 49 -3.243 -8.378 1.230 1.00 0.00 N ATOM 701 CA PHE A 49 -2.396 -7.476 1.993 1.00 0.00 C ATOM 702 C PHE A 49 -2.482 -7.873 3.467 1.00 0.00 C ATOM 703 O PHE A 49 -3.528 -7.719 4.095 1.00 0.00 O ATOM 704 CB PHE A 49 -2.831 -6.026 1.718 1.00 0.00 C ATOM 705 CG PHE A 49 -4.338 -5.792 1.649 1.00 0.00 C ATOM 706 CD1 PHE A 49 -5.016 -5.890 0.417 1.00 0.00 C ATOM 707 CD2 PHE A 49 -5.053 -5.407 2.797 1.00 0.00 C ATOM 708 CE1 PHE A 49 -6.385 -5.576 0.335 1.00 0.00 C ATOM 709 CE2 PHE A 49 -6.416 -5.077 2.715 1.00 0.00 C ATOM 710 CZ PHE A 49 -7.081 -5.153 1.480 1.00 0.00 C ATOM 0 H PHE A 49 -3.986 -8.806 1.782 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.349 -7.547 1.697 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.417 -5.387 2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.388 -5.705 0.775 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.483 -6.207 -0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.549 -5.365 3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.902 -5.660 -0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.952 -4.766 3.600 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.125 -4.887 1.411 1.00 0.00 H new ATOM 720 N GLU A 50 -1.397 -8.423 4.014 1.00 0.00 N ATOM 721 CA GLU A 50 -1.348 -8.885 5.393 1.00 0.00 C ATOM 722 C GLU A 50 -0.973 -7.710 6.281 1.00 0.00 C ATOM 723 O GLU A 50 -0.027 -6.999 5.964 1.00 0.00 O ATOM 724 CB GLU A 50 -0.288 -9.974 5.530 1.00 0.00 C ATOM 725 CG GLU A 50 -0.668 -11.231 4.737 1.00 0.00 C ATOM 726 CD GLU A 50 0.394 -12.314 4.870 1.00 0.00 C ATOM 727 OE1 GLU A 50 0.658 -12.703 6.027 1.00 0.00 O ATOM 728 OE2 GLU A 50 0.921 -12.726 3.815 1.00 0.00 O ATOM 0 H GLU A 50 -0.524 -8.559 3.505 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.318 -9.288 5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.671 -9.596 5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.162 -10.230 6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.625 -11.612 5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.798 -10.974 3.686 1.00 0.00 H new ATOM 735 N GLU A 51 -1.681 -7.513 7.388 1.00 0.00 N ATOM 736 CA GLU A 51 -1.401 -6.460 8.334 1.00 0.00 C ATOM 737 C GLU A 51 -0.108 -6.807 9.085 1.00 0.00 C ATOM 738 O GLU A 51 0.090 -7.950 9.494 1.00 0.00 O ATOM 739 CB GLU A 51 -2.631 -6.331 9.245 1.00 0.00 C ATOM 740 CG GLU A 51 -2.365 -5.337 10.361 1.00 0.00 C ATOM 741 CD GLU A 51 -3.613 -5.014 11.180 1.00 0.00 C ATOM 742 OE1 GLU A 51 -4.349 -4.096 10.761 1.00 0.00 O ATOM 743 OE2 GLU A 51 -3.771 -5.647 12.246 1.00 0.00 O ATOM 0 H GLU A 51 -2.477 -8.095 7.650 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.232 -5.493 7.861 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.492 -6.008 8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.881 -7.304 9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.597 -5.738 11.022 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.969 -4.416 9.933 1.00 0.00 H new ATOM 750 N VAL A 52 0.779 -5.824 9.253 1.00 0.00 N ATOM 751 CA VAL A 52 2.024 -5.911 9.968 1.00 0.00 C ATOM 752 C VAL A 52 1.760 -5.349 11.363 1.00 0.00 C ATOM 753 O VAL A 52 1.521 -4.149 11.520 1.00 0.00 O ATOM 754 CB VAL A 52 3.071 -5.131 9.155 1.00 0.00 C ATOM 755 CG1 VAL A 52 4.322 -4.863 9.981 1.00 0.00 C ATOM 756 CG2 VAL A 52 3.458 -5.919 7.906 1.00 0.00 C ATOM 0 H VAL A 52 0.624 -4.894 8.864 1.00 0.00 H new ATOM 0 HA VAL A 52 2.411 -6.923 10.089 1.00 0.00 H new ATOM 0 HB VAL A 52 2.627 -4.177 8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.044 -4.310 9.380 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.058 -4.277 10.861 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.761 -5.810 10.294 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.200 -5.358 7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.877 -6.882 8.199 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.574 -6.080 7.289 1.00 0.00 H new ATOM 766 N GLU A 53 1.769 -6.232 12.366 1.00 0.00 N ATOM 767 CA GLU A 53 1.427 -5.953 13.746 1.00 0.00 C ATOM 768 C GLU A 53 2.479 -5.132 14.504 1.00 0.00 C ATOM 769 O GLU A 53 2.983 -5.537 15.550 1.00 0.00 O ATOM 770 CB GLU A 53 1.070 -7.263 14.441 1.00 0.00 C ATOM 771 CG GLU A 53 2.178 -8.327 14.453 1.00 0.00 C ATOM 772 CD GLU A 53 1.705 -9.611 15.123 1.00 0.00 C ATOM 773 OE1 GLU A 53 0.922 -9.496 16.092 1.00 0.00 O ATOM 774 OE2 GLU A 53 2.132 -10.687 14.653 1.00 0.00 O ATOM 0 H GLU A 53 2.030 -7.207 12.220 1.00 0.00 H new ATOM 0 HA GLU A 53 0.556 -5.298 13.750 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.790 -7.043 15.471 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.190 -7.685 13.954 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.490 -8.541 13.431 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.051 -7.940 14.979 1.00 0.00 H new ATOM 781 N GLU A 54 2.736 -3.931 14.002 1.00 0.00 N ATOM 782 CA GLU A 54 3.200 -2.839 14.846 1.00 0.00 C ATOM 783 C GLU A 54 1.986 -2.249 15.600 1.00 0.00 C ATOM 784 O GLU A 54 0.869 -2.823 15.499 1.00 0.00 O ATOM 785 CB GLU A 54 4.002 -1.799 14.032 1.00 0.00 C ATOM 786 CG GLU A 54 5.136 -2.422 13.180 1.00 0.00 C ATOM 787 CD GLU A 54 6.288 -1.465 12.847 1.00 0.00 C ATOM 788 OE1 GLU A 54 6.660 -0.657 13.721 1.00 0.00 O ATOM 789 OE2 GLU A 54 6.786 -1.531 11.697 1.00 0.00 O ATOM 790 OXT GLU A 54 2.176 -1.226 16.288 1.00 0.00 O ATOM 0 H GLU A 54 2.631 -3.689 13.017 1.00 0.00 H new ATOM 0 HA GLU A 54 3.905 -3.206 15.592 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.320 -1.259 13.375 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.432 -1.067 14.716 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.540 -3.284 13.712 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.710 -2.794 12.248 1.00 0.00 H new